CID 18723215

4,4-dimethyl-1-(prop-2-yn-1-yl)piperidine

Structural Information

Molecular Formula
C10H17N
SMILES
CC1(CCN(CC1)CC#C)C
InChI
InChI=1S/C10H17N/c1-4-7-11-8-5-10(2,3)6-9-11/h1H,5-9H2,2-3H3
InChIKey
VTTSYCSMXOZFGP-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1-prop-2-ynylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

151.1361 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.143376 131.3
[M+Na]+ 174.125318 140.2
[M-H]- 150.128824 132.1
[M+NH4]+ 169.169923 151.0
[M+K]+ 190.099258 136.4
[M+H-H2O]+ 134.133360 120.1
[M+HCOO]- 196.134301 145.0
[M+CH3COO]- 210.149951 185.8
[M+Na-2H]- 172.110766 136.2
[M]+ 151.13555142 123.1
[M]- 151.13664858 123.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe